Geometry & MOs

Info

ID:	121078
PubChem CID:	50755102
Reduced:	SN4O4C21H22 (1)
Stoich.:	AB4C4D21E22 (1)
Weight, g/mol:	384.105625
ΔH_f, kcal/mol:	-97.87
Dipole, Da:	5.73
IP(EA), eV:	-7.89(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dimethylanilino)-5-[(2-fluorobenzoyl)amino]-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC2=NC(=C(S2)NC(=O)C3=CC(=C(C=C3)OC)OC)C(=O)N

DOS

IR

Vibrations